Search NASA⌕ Search

SEARCH · Search NASA

Results for “Transitions”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Vehicle-Cycle Inventory for Type C School Buses & Intra-City Transit Buses

This report documents the new inventory incorporated into the Research and Development version of Greenhouse gases, Regulated Emissions, and Energy use in Technologies (R&D GREET) 2025 model for the vehicle cycle of Type C school buses and intracity transit buses. The transportation sector contributes significantly to the United States’ energy consumption and resultant emissions (EPA, 2025a). However, public transit plays an important role in mitigating these impacts because it consumes a relatively low amount of energy per passenger (Congressional Budget Office, 2022). Public transit is widely used in the United States; more than 500,000 school buses (EPA, 2025b) and ~75,000 service buses (American Public Transportation Association, 2025) operate in the nation. These are primarily internal combustion engine vehicles (ICEVs) powered by diesel. Original equipment manufacturers (OEMs) are making efforts to electrify U.S. bus fleets by using batteries as a propulsion system to replace internal combustion engines. Electrification can reduce tailpipe emissions, such as particulate matter (with a diameter ≤10 µm [PM 10 ] and with a diameter ≤2.5 µm [PM 2.5 ]) and nitrogen oxides (Jonas et al., 2025; Martinez and Samaras, 2024; EPA, 2025b; Wayne et al., 2009). Hence, any energy and emission impact analysis of public transit must consider both conventional ICEVs and upcoming electric vehicle (EV) options for the school and transit buses that dominate this landscape. To understand the detailed environmental impact profiles of ICEV and EV school and transit buses, it is necessary to conduct a thorough analysis covering both vehicle manufacturing and vehicle use stages. The current literature lacks a detailed vehicle-cycle inventory for school and transit buses, which makes this kind of comparison difficult. To overcome this gap, we developed a comprehensive vehicle-cycle model for school and transit buses in Argonne’s R&D GREET 2025 model. The model is flexible in handling user inputs for key assumptions, such as component weights and material compositions, upstream energy sources for material processing, and vehicle operating parameters, to understand their impacts on energy use and emissions for both school and transit buses. This report is organized as follows: Section 2 provides details on the modeling approach and vehicle specifications (weights and composition of different vehicle components, and vehicle operating parameters) for both school and transit buses. Section 3 provides details on vehicle assembly, disposal, and recycling (ADR) approaches for the two buses. Section 4 includes details about their incorporation into the R&D GREET model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2011

Assessing Uncertainties in Boundary Layer Transition Predictions for HIFiRE-1 at Non-zero Angles of Attack

Boundary layer stability was analyzed for the HIFiRE-1 flight vehicle geometry for ground tests conducted at the CUBRC LENS I hypersonic shock test facility and the Langley Research Center (LaRC) 20- inch Mach 6 Tunnel. Boundary layer stability results were compared to transition onset location obtained from discrete heat transfer measurements from thin film gauges during the CUBRC test and spatially continuous heat transfer measurements from thermal phosphor paint data during the LaRC test. The focus of this analysis was on conditions at non-zero angles of attack as stability analysis has already been performed at zero degrees angle of attack. Also, the transition onset data obtained during flight testing was at nonzero angles of attack, so this analysis could be expanded in the future to include the results of the flight test data. Stability analysis was performed using the 2D parabolized stability software suite STABL (Stability and Transition Analysis for Hypersonic Boundary Layers) developed at the University of Minnesota and the mean flow solutions were computed using the DPLR finite volume Navier-Stokes computational fluid dynamics (CFD) solver. A center line slice of the 3D mean flow solution was used for the stability analysis to incorporate the angle of attack effects while still taking advantage of the 2D STABL software suite. The N-factors at transition onset and the value of Re(sub theta)/M(sub e), commonly used to predict boundary layer transition onset, were compared for all conditions analyzed. Ground test data was analyzed at Mach 7.2 and Mach 6.0 and angles of attack of 1deg, 3deg and 5deg. At these conditions, the flow was found to be second mode dominant for the HIFiRE-1 slender cone geometry. On the leeward side of the vehicle, a strong trend of transition onset location with angle of attack was observed as the boundary layer on the leeward side of the vehicle developed inflection points at streamwise positions on the vehicle that correlated to angle of attack. Inflection points are a strong instability mechanism that lead to rapid breakdown and transition to turbulence. The transition onset location on the windward side of the vehicle displayed no trend with angle of attack or freestream Reynolds number and transition was observed farther down the vehicle than observed on the leeward side of the vehicle. In analysis of both windward and leeward sides of the vehicle, use of the N factor methodology to develop trends to predict boundary layer transition onset showed improvements over the Re(sub theta)/M(sub e) empirical correlation methodology. Stronger correlations and less scatter in the data were observed when using the N factor method for these cases.

Marek, Lindsay C.↗
NASA NTRS2013

Molecular-Based Optical Measurement Techniques for Transition and Turbulence in High-Speed Flow

High-speed laminar-to-turbulent transition and turbulence affect the control of flight vehicles, the heat transfer rate to a flight vehicle's surface, the material selected to protect such vehicles from high heating loads, the ultimate weight of a flight vehicle due to the presence of thermal protection systems, the efficiency of fuel-air mixing processes in high-speed combustion applications, etc. Gaining a fundamental understanding of the physical mechanisms involved in the transition process will lead to the development of predictive capabilities that can identify transition location and its impact on parameters like surface heating. Currently, there is no general theory that can completely describe the transition-to-turbulence process. However, transition research has led to the identification of the predominant pathways by which this process occurs. For a truly physics-based model of transition to be developed, the individual stages in the paths leading to the onset of fully turbulent flow must be well understood. This requires that each pathway be computationally modeled and experimentally characterized and validated. This may also lead to the discovery of new physical pathways. This document is intended to describe molecular based measurement techniques that have been developed, addressing the needs of the high-speed transition-to-turbulence and high-speed turbulence research fields. In particular, we focus on techniques that have either been used to study high speed transition and turbulence or techniques that show promise for studying these flows. This review is not exhaustive. In addition to the probe-based techniques described in the previous paragraph, several other classes of measurement techniques that are, or could be, used to study high speed transition and turbulence are excluded from this manuscript. For example, surface measurement techniques such as pressure and temperature paint, phosphor thermography, skin friction measurements and photogrammetry (for model attitude and deformation measurement) are excluded to limit the scope of this report. Other physical probes such as heat flux gauges, total temperature probes are also excluded. We further exclude measurement techniques that require particle seeding though particle based methods may still be useful in many high speed flow applications. This manuscript details some of the more widely used molecular-based measurement techniques for studying transition and turbulence: laser-induced fluorescence (LIF), Rayleigh and Raman Scattering and coherent anti-Stokes Raman scattering (CARS). These techniques are emphasized, in part, because of the prior experience of the authors. Additional molecular based techniques are described, albeit in less detail. Where possible, an effort is made to compare the relative advantages and disadvantages of the various measurement techniques, although these comparisons can be subjective views of the authors. Finally, the manuscript concludes by evaluating the different measurement techniques in view of the precision requirements described in this chapter. Additional requirements and considerations are discussed to assist with choosing an optical measurement technique for a given application.

Bathel, Brett F.↗
NASA NTRS2014

Elastic Model Transitions: A Hybrid Approach Utilizing Quadratic Inequality Constrained Least Squares (LSQI) and Direct Shape Mapping (DSM)

A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes a hybrid approach for determining physical displacements by augmenting the original quadratically constrained least squares (LSQI) algorithm with Direct Shape Mapping (DSM) and modifying the energy constraints. The approach presented is applicable to simulation of the elastic behavior of launch vehicles and other structures that utilize discrete LTI finite element model (FEM) derived mode sets (eigenvalues and eigenvectors) that are propagated throughout time. The time invariant nature of the elastic data presents a problem of how to properly transition elastic states from the prior to the new model while preserving motion across the transition and ensuring there is no truncation or excitation of the system. A previous approach utilizes a LSQI algorithm with an energy constraint to effect smooth transitions between eigenvector sets with no requirement that the models be of similar dimension or have any correlation. This approach assumes energy is conserved across the transition, which results in significant non-physical transients due to changing quasi-steady state energy between mode sets, a phenomenon seen when utilizing a truncated mode set. The computational burden of simulating a full mode set is significant so a subset of modes is often selected to reduce run time. As a result of this truncation, energy between mode sets may not be constant and solutions across transitions could produce non-physical transients. In an effort to abate these transients an improved methodology was developed based on the aforementioned approach, but this new approach can handle significant changes in energy across mode set transitions. It is proposed that physical velocities due to elastic behavior be solved for using the LSQI algorithm, but solve for displacements using a two-step process that independently addresses the quasi-steady-state and non-steady-state contributions to the elastic displacement. For structures subject to large external forces, such as thrust or atmospheric drag, it is imperative to capture these forces when solving for elastic displacement. To simplify the mathematical formulation, assumptions are made regarding mass matrix normalization, constant external forcing, and constant viscous damping. These simplifications allow for direct solutions to the quasi-steady-state displacements through a process titled Direct Shape Mapping. DSM solves for the displacements using the eigenvalues of the elastic modes and the external forcing and returns a set of elastic displacements dictated by the eigenvectors of the post-transition mode set. For the non-steady-state contributions to displacement we formulate a LSQI problem that is constrained by energy of the non-steady state terms. The contributions from the quasi-steady-state and non-steady state solutions are then combined to obtain the physical displacements associated with the new set of eigenvectors. Results for the LSQI-DSM approach show significant reduction/complete removal of transients across mode set transitions while maintaining elastic motion from the prior state. For time propagation applications employing discrete elastic models that need to be transitioned in time and where running with full a full mode set is not feasible, the method developed offers a practical solution to simulating vehicle elasticity.

Hannan, Mike R.↗
NASA NTRS2006

Solving Cassini's data glitch problem during coherency mode transition for Titan radar observations

We describe the problem of regular small telemetry losses incurred during coherency mode transitions in Cassini’s telecommunication. The project did not originally plan any corrective steps for avoiding these data losses, because of 1) the disparity between the small durations of the transitions (1-2 min) and large playback capability losses (15 min) needed for bracketing the transition time spans and 2) the unpredictable content of data downlinking during the transitions. However, as the intense science data return from the tour began, it became apparent that the impact of these small losses can sometimes be significant. We provide two examples of the impact on Radar-dedicated Titan flybys. In general, the impacts are larger for high-rate data and for data acquired during a targeted flyby of Titan and other icy satellites. Although the content of data during a transition for every downlink pass is unpredictable, we are certain that some important data will be lost on downlink passes dedicated to transmit the flyby data and it does not matter what part of the data will be hit by the transitions. We collected more than 200 days of data from Cassini tour operations between June 2004 and February 2005 to analyze the distributions of the start time and duration of the transitions. We found that the occurrence of a transition can be predicted within a 5-min window, with 95 percent confidence. Given that, it is possible to eliminate the data losses by pausing playback at the beginning of a transition for 5 minutes and resuming playback after transition completion. We briefly describe three operational fixes as to how to implement the playback pause, with the pros and cons for each method. Finally, we report the results of the method chosen by the project and implemented on the spacecraft for several Titan and icy satellites flybys between September and October, 2005.

Weld, K. R.↗
NASA NTRS2020

Utilizing Small Telescopes Operated by Citizen Scientists for Transiting Exoplanet Follow-up

Due to the efforts by numerous ground-based surveys and NASA's Kepler and Transiting Exoplanet Survey Satellite (TESS), there will be hundreds, if not thousands, of transiting exoplanets ideal for atmospheric characterization via spectroscopy with large platforms such as James Webb Space Telescope and ARIEL. However their next predicted mid-transit time could become so increasingly uncertain over time that significant overhead would be required to ensure the detection of the entire transit. As a result, follow-up observations to characterize these exoplanetary atmospheres would require less-efficient use of an observatory's time—which is an issue for large platforms where minimizing observing overheads is a necessity. Here we demonstrate the power of citizen scientists operating smaller observatories (≤1 m) to keep ephemerides "fresh," defined here as when the 1σ uncertainty in the mid-transit time is less than half the transit duration. We advocate for the creation of a community-wide effort to perform ephemeris maintenance on transiting exoplanets by citizen scientists. Such observations can be conducted with even a 6 inch telescope, which has the potential to save up to ∼10,000 days for a 1000-planet survey. Based on a preliminary analysis of 14 transits from a single 6 inch MicroObservatory telescope, we empirically estimate the ability of small telescopes to benefit the community. Observations with a small-telescope network operated by citizen scientists are capable of resolving stellar blends to within 5''/pixel, can follow-up long period transits in short-baseline TESS fields, monitor epoch-to-epoch stellar variability at a precision 0.67% ± 0.12% for a 11.3 V-mag star, and search for new planets or constrain the masses of known planets with transit timing variations greater than two minutes.

Robert T. Zellem↗
NASA NTRS2022

Transit Timing Variations for AU Microscopii b and c

We explore the transit timing variations (TTVs) of the young (22 Myr) nearby AU Mic planetary system. For AU Mic b, we introduce three Spitzer (4.5 μm) transits, five TESS transits, 11 LCO transits, one PEST transit, one Brierfield transit, and two transit timing measurements from Rossiter–McLaughlin observations; for AU Mic c, we introduce three TESS transits. We present two independent TTV analyses. First, we use EXOFASTv2 to jointly model the Spitzer and ground-based transits and obtain the midpoint transit times. We then construct an O − C diagram and model the TTVs with Exo-Striker. Second, we reproduce our results with an independent photodynamical analysis. We recover a TTV mass for AU Mic c of -10.8+2.22.3 M⊕. We compare the TTV-derived constraints to a recent radial velocity (RV) mass determination. We also observe excess TTVs that do not appear to be consistent with the dynamical interactions of b and c alone or due to spots or flares. Thus, we present a hypothetical nontransiting “middle-d” candidate exoplanet that is consistent with the observed TTVs and candidate RV signal and would establish the AU Mic system as a compact resonant multiplanet chain in a 4:6:9 period commensurability. These results demonstrate that the AU Mic planetary system is dynamically interacting, producing detectable TTVs, and the implied orbital dynamics may inform the formation mechanisms for this young system. We recommend future RV and TTV observations of AU Mic b and c to further constrain the masses and confirm the existence of possible additional planet(s).

Justin M Wittrock↗
NASA NTRSDate not supplied

First-Principles Investigation of Phase Transitions in RuNb, RuTa, and Ru-Nb-Ta Ultrahigh Temperature Shape Memory Alloys

Ultrahigh temperature shape memory alloys (UHT-SMAs) have transition temperatures above 600 C, and they have found applications for sensing and actuating devices in aerospace industry. Among very few such UHT-SMAs currently known are Ru-based alloys such as RuNb and RuTa, whose martensite structures and phase transitions are totally different from those of NiTi-based SMAs and were poorly understood. In this work, we carried out a systematical study of RuNb using first-principles total energy calculations and molecular dynamics (MD) simulations. The transition paths and mechanisms in cubic → tetragonal →monoclinic transitions are revealed. and the transition sequence and martensitic transition temperatures are determined (MTTs) by evaluating the Gibbs free energies using thermodynamic integration. The calculated MTTs are in very good agreement with the experimental data. We found that the monoclinic phase at the second transition has the 𝑃21/m symmetry instead of experimentally identified 𝑃2/m. Our calculations demonstrate that RuTa has very similar phase transitions to those of RuTa. Furthermore, we studied the Ru0.5Nb0.25Ta0.25 ternary. Our results can explain the measured significant drop of MTT (~ 200 C) in the second transition for Ru0.5Nb0.25Ta0.25 compared with those of RuNb and RuTa, while in the first transition its MTT is between MTTs of RuNb and RuTa. The insights gained by this study and the verified ab initio methods for accurate MTT calculations can be applied to fast screen and quantitatively design novel UHT-SMAs having similar properties with desirable MTTs and much reduced cost.

Zhigang Wu↗
DOE OSTI2024

Circular Economy for Photovoltaics in Service of Energy Transition

The challenge of energy transition is immediate and immense; current projections target 75 TW of photovoltaics (PV) capacity by 2050. While any transition to renewable energy technology is preferable to the current fossil-based system, it is ideal to improve the sustainability of PV to minimize negative environmental and social impacts. Circular economy (CE) has been proposed as a method to improve the sustainability of PV, especially for emerging materials like perovskites. CE is a set of actions, principles, and systems which aim to design out waste and keep products and materials in use, to reduce environmental impacts and enable sustainable development. At the most basic level, CE is "reduce, reuse, recycle", the R-actions, in ranked order. CE of a PV technology can be metricized in a variety of ways, such as the Material Circularity Indicator (Smith and Jones, Ellen MacArthur Foundation, 2019) or recycling rates. Unfortunately, standard CE metrics have several shortcomings for measuring renewable energy technologies in the context of deployment for energy transition (Figge 2018, Saidani 2019): 1) Only measure mass flows; 2) De-prioritization of the use phase in favor of mass circularity when scoring; and 3) Tight focus on a single product scale The use phase and energy flows of PV are key to energy transition, and therefore need to be quantified. Additionally, correlating product-scale to system-scale is necessary for quantifying the environmental impacts of energy transition. Life Cycle Assessment (LCA) can address some of these concerns, but also focuses on a single product scale and has trouble capturing the dynamics of system-scale energy transition, such as the interaction of module lifetime with manufacturing demands for energy transition deployment schedules. Therefore, we developed an open-source Python-based system dynamics model to quantify the mass, energy and carbon impacts of CE R-actions for PV technologies in the energy transition; PV in the CE (PV ICE) (Ovaitt & Mirletz 2021). The tool captures supply chains from material extraction through end of life, incorporating 5 circular end of life pathways. PV ICE takes in any evolving bill of materials, module properties and deployment schedule to support researchers and decision makers with data-backed insights. In this work, we quantify and compare proposed CE sustainable PV module designs and lifecycle management strategies, spanning currently commercialized technologies, government and industry technology targets, and several low Technology Readiness Level (TRL) emerging PV technologies, including perovskites. Our analyses capture the projected evolutions of lifetime, efficiency and material circularity of these PV technologies, as well as their material supply chains. Our analyses emphasize the importance of examining a suite of metrics to identify priorities and tradeoffs, and inform design or lifecycle management decisions holistically. Previous analyses have demonstrated the central importance of PV module lifetime to support energy transition while minimizing impacts. High levels of material circularity (>90%) enable minimizing lifecycle wastes, can reduce virgin material demands if paired with improving efficiency, but demonstrate tradeoffs in energy return on investment. In the fervor of new material and technology development, it is important to remember that CE is not the end goal; decarbonization and energy transition are the end goal. CE should be used in service to improve the sustainability of PV, and R-actions evaluated for their usefulness and efficacy to this end.

carbon↗
DOE OSTI2025

Assessment and Improvement of the SST-Gamma Transition Model in Nalu-Wind

We conduct laminar–turbulent boundary-layer transition simulations using a local correlation-based transition model for two-dimensional incompressible flow and present enhancements to improve the accuracy of transition predictions. Menter’s Galilean-invariant 𝛾 transition model is implemented in the incompressible, unstructured-grid flow solver Nalu-Wind and is validated against experimental data and results from NASA’s flow solvers. The test cases of the AIAA Transition Prediction and Modeling Workshop are investigated, namely, the T3A/T3B flat plates and the NLF(1)-0416 and S809 airfoils. Based on the results, best practices for transition simulations, particularly for an unstructured-grid flow solver, are identified. Additional airfoil simulations are conducted for two wind turbine airfoils, S822 at Reynolds numbers of 𝑂⁡(10 5 ) and DU00-W-212 at Reynolds numbers of 𝑂⁡(10 7 ), to assess the model at low and high Reynolds numbers. Furthermore, through this work, we propose several approaches to enhance transition simulations, including 1) enforcing positivity of the implicit operator for the source terms of the transition model, 2) employing a constant turbulence intensity in stationary external flow simulations, and 3) recommending meshing for unstructured-grid flow solvers. Finally, we provide detailed documentation of the validation and data for the canonical cases to the transition modeling community.

17 WIND ENERGY↗
NASA NTRSDate not supplied

Development of Physics-Based Transition Models for Unstructured-Mesh CFD Codes Using Deep Learning Models

Predicting transition locations over a vehicle surface is of fundamental importance for many engineering applications. With the transition information, the Reynolds-averaged Navier-Stokes (RANS) computations can turn on the turbulence model at the right locations so that drag, lift and other aerodynamic quantities can be accurately predicted. In contrast to the popularity of RANS-based transition modeling in which transition onset is governed by the turbulence equations, physics-based transition models that account for instability waves within the boundary layer, thus more compliant to flow physics, only gained more attention in recent years. This paper describes the development of a new physics-based transition model based on either the linear stability theory (LST) or parabolized stability equations (PSE). The model is designed to communicate with a structured or unstructured-mesh RANS solver back and forth in order to more accurately compute transition fronts over a three-dimensional body. In the developed model, the Python suite of interface codes in conjunction with the LASTRAC software can be executed autonomously to produce transition onset locations for a given laminar or RANS-computed transitional state. In addition, as a proof of concept, the tool set consists of a deep learning neural network model that has been designed and trained to predict instability wave evolutions inside the boundary layer for various instability wave mechanisms across a selected speed range. A machine-learned intelligent profile interpolation model has also been devised to enable reliable instability-wave spectra predictions with just a few points in the mean flow profiles.

Transition Modeling↗
DOE OSTI2022

Correlating hidden local structural distortion with antiferroelectric-ferroelectric transition in PbZrO 3 -based perovskites

Externally stimulated antiferroelectric-ferroelectric (AFE-FE) transition makes AFE materials attractive for many applications ranging from energy storage to sensing. This transition-mediated macroscopic electrical characteristics have been extensively investigated, yet the underlying structural evolution remains poorly understood. Herein, we study the local- and long-range structural evolutions in the Nb-doped Pb(Zr,Sn,Ti)O 3 perovskites by in-situ X-ray total scattering and diffraction, which show three different types of AFE-FE transitions. The evolution of long-range structure from diffraction and local structure identified by atomic pair distribution function (PDF) are consistent well with the phase transition behavior indicated by macroscopic polarization/strain measurements, while discrepancies exist. Interestingly, frequently employed long-range structure picture that the uniform AFE pseudo-tetragonal to FE rhombohedral transformation is insufficient to understand the distinct composition-dependent AFE-FE transition behaviours. Instead, the reversibility of this transition correlates with the chemically sensitive local atomic displacements revealed by newly developed in-situ PDF. The critical electric field of transition is associated with the local structural differences between the AFE and FE state. The macroscopic electrostrains can be well estimated by the phase transition associated lattice strain and domain alignment from in-situ synchrotron XRD data, while the local strains calculated from in-situ PDFs are found to be much lower. Finally, these results provide a fresh insight into the AFE-FE transition, and advance the understanding of structure-property relationships in AFE materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Determination of transition metal ions in fossil fuel associated wastewaters using chelation ion chromatography

Here, this study outlines the development and subsequent validation of a method using chelation ion chromatography (CIC) pretreatment followed by traditional ion chromatography (IC) and post column UV/vis detection to measure transition metals in fossil fuel wastewaters, such as oil & gas (O&G) brines and coal mine drainage (CMD) waters. Measurement of transition metals is often an important characterization step in the research of environmental and energy systems. IC represents one way to measure these metals with the advantages of being versatile, simple and relatively low cost compared to other analytical methods. However, high concentrations of alkali and alkaline earth metals present in fossil fuel wastewaters will decrease IC detectability of transition metals in these waters. In this study, a CIC method was developed for the analysis of transition metal ions (Fe 3+ , Cu 2+ , Ni 2+ , Zn 2+ , Co 2+ , Mn 2+ , and Fe 2+ ) in fossil fuel associated wastewaters such as Appalachian CMD and O&G wastewaters from the Permian and Bakken shale basins in the United States. CIC system incorporated an on-line chelator column (e.g., the MetPac CC-1) with high selectivity for transition metals over alkali and alkaline earth metals for salt matrix removal prior to transition metal separation and detection. Additional method developments also included acidifying all samples to 2% v/v HCl and using gradient elution rather than isocratic. The recoverability of transition metals in simple salt solutions commonly found in CMD and brine samples (e.g. NaCl, Na 2 SO 4 , CaCl 2 ) using CIC was evaluated and compared to that using traditional IC. Our results found that the CIC system significantly improved transition metal recoveries for samples in 10,000 mg/L CaCl 2 matrix, reaching 87%-108% recovery for all analytes, as opposed to 2-323% recovery in traditional IC. The limits of detection in this study achieved 10.09 – 161.2 μg/L, comparable to reported values in similar IC studies. The developed method was also verified with certified water samples, resulting in 89% - 111% recoveries in samples with higher analyte concentrations (i.e. >4x the LoDs). The developed method achieved 87% -112% recoveries for most analytes in CMD samples and 72%-138% recoveries for Bakken shale samples, relative to ICP-MS values. Overall, the current IC method can be a very good screening tool for fast and cheap analysis for transition metals at mg/L level, to facilitate selection of samples for more detailed ICP-MS analysis.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Joint Design of Multimodal Transit Networks and Shared Autonomous Mobility Fleets

Providing quality transit service to travelers in low-density areas, particularly travelers without personal vehicles, is a constant challenge for transit agencies. The advent of fully-autonomous vehicles (AVs) and their inclusion in mobility service fleets may allow transit agencies to offer better service and/or reduce their own capital and operational costs. This study focuses on the problem of allocating resources between transit patterns and operating (or subsidizing) shared-use AV mobility services (SAMSs) in a large metropolitan area. To address this question, a joint transit network redesign and SAMS fleet size determination problem (JTNR-SFSDP) is introduced, and a bi-level mathematical programming formulation and solution approach are presented. The upper-level problem modifies a transit network frequency setting problem (TNFSP) formulation via incorporating SAMS fleet size as a decision variable and allowing the removal of bus routes. The lower-level problem consists of a dynamic combined mode choice-traveler assignment problem (DCMC-TAP) formulation. The heuristic solution procedure involves solving the upper-level problem using a nonlinear programming solver and solving the lower-level problem using an iterative agent-based assignment-simulation approach. To illustrate the effectiveness of the modeling framework, this study uses traveler demand from Chicago along with the regions existing multimodal transit network. The computational results indicate significant traveler benefits, in terms of improved average traveler wait times, associated with optimizing the joint design of multimodal transit networks and SAMS fleets compared with the initial transit network design.

bi-level programming↗
DOE OSTI2021

Anomalous thermoelectricity at the two-dimensional structural transition of SnSe monolayers

The thermoelectric figure of merit ZT comprises electronic and vibrational contributions that drastically change across phase transitions, and the most common theoretical ab initio approach to thermoelectricity fails to describe the evolution of ZT across finite-temperature structural transitions in its entirety. Furthermore, while the thermoelectric behavior of bulk SnSe has been extensively studied, SnSe monolayers have been experimentally realized only recently, and the existent prediction of thermoelectricity on this two-dimensional material is unreliable because it misses its structural transition altogether. SnSe monolayers (and similar GeS, GeSe, GeTe, SnS, and SnTe monolayers) experience a temperature-induced two-dimensional Pnm2 1 → P4/nmm structural transition precipitated by the softening of vibrational modes, and we describe their thermoelectric properties across the phase transition, using molecular dynamics data to inform both electronic and vibrational coefficients directly and within the same footing. Similar to recent experimental observations pointing to an overestimated ZT past the transition temperature in bulk SnSe, we find a smaller ZT on SnSe monolayers when compared to its value predicted by the standard paradigm, due to the dramatic changes in the electrical conductivity and lattice thermal conductivity as the structural transition ensues. Here, the process described here lends a strong focus to both the vibrational and electronic evolutions throughout the structural transition, and it applies to thermoelectric materials undergoing thermally driven solid-to-solid structural phase transitions in one, two, and three dimensions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Ride Pingo to Transit

In this project, we developed an on-demand microtransit first- and last-mile service. To integrate the service with fixed-route transit, we developed a feature called Transit Connect that prioritized riders’ on-time arrival at the transit station over other service requirements. We first prototyped service and related algorithms in a simulated environment, and then piloted the service in the city of Kent, Washington. Our algorithm incorporates request-specific hard drop-off deadlines to ensure timely arrivals for transit transfers. In the pilot, these constraints were obtained from GTFS Realtime data to accurately determine the schedule of the transit and the location of the stations. This approach introduced the ability to accept or decline new requests based on the timing of transit connections for these new requests and connection status of onboarding customers. The pilot (called “Ride Pingo to Transit”) deployed a fleet of three 14-person vans, ran from September 2021 to March 2023, and served a total of 21,329 trips. Transit Connect was offered for drop-offs at both Kent Station and the Kent Valley hub. In total, 2,844 such trips were completed. This dataset was collected from our pilot, which includes the following: - Requests: List of all trip requests, including those that were actually served and those not materialized. - Fleet: Daily vehicle service logs. - Service details: Daily vehicle stop logs (boarding and alighting). - Trip types: First mile, last mile, or point-to-point. ![pingo to transit](pingo-to-transit.jpg)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2018

Nosetip Bluntness Effects on Transition at Hypersonic Speeds: Experimental and Numerical Analysis Under NATO STO AVT-240

The existing database of transition measurements in hypersonic ground facilities has established that the onset of boundary layer transition over a circular cone at zero angle of attack shifts downstream as the nosetip bluntness is increased with respect to a sharp cone. However, this trend is reversed at sufficiently large values of the nosetip Reynolds number, so that the transition onset location eventually moves upstream with a further increase in nosetip bluntness. This transition reversal phenomenon, which cannot be explained on the basis of linear stability theory, was the focus of a collaborative investigation under the NATO STO group AVT-240 on Hypersonic Boundary-Layer Transition Prediction. The current paper provides an overview of that effort, which included wind tunnel measurements in three different facilities and theoretical analysis related to modal and nonmodal amplification of boundary layer disturbances. Because neither first and second-mode waves nor entropy-layer instabilities are found to be substantially amplified to initiate transition at large bluntness values, transient (i.e., nonmodal) disturbance growth has been investigated as the potential basis for a physics-based model for the transition reversal phenomenon. Results of the transient growth analysis indicate that disturbances that are initiated within the nosetip or in the vicinity of the juncture between the nosetip and the frustum can undergo relatively significant nonmodal amplification and that the maximum energy gain increases nonlinearly with the nose radius of the cone. This finding does not provide a definitive link between transient growth and the onset of transition, but it is qualitatively consistent with the experimental observations that frustum transition during the reversal regime was highly sensitive to wall roughness, and furthermore, was dominated by disturbances that originated near the nosetip.

Numerical analysis↗
NASA NTRS2021

Pretest Computational Assessment of Boundary Layer Transition in the NASA Juncture Flow Model with an NACA 0015-Based Wing

The first two phases of the NASA Juncture Flow experiment were carried out on a DLR-F6 swept-wing model and were designed to provide “CFD validation-quality” data toward the assessment and improvement of existing CFD turbulence models in predicting onset and extent of three-dimensional separated flow near the wing-juncture trailing-edge region. The next phase of experiments will involve an NACA 0015-based swept wing, as prior risk reduction experiments had indicated that this wing shape resulted in reduced separation near the juncture region than the DLR-F6 wing, thus providing a better option to evaluate the ability of CFD models to predict incipient turbulent separation. The NACA 0015 measurements will also include IR thermography to infer the variation of transition front with respect to an increasing angle of attack. The primary objective of this work is to computationally make a preliminary assessment of the transition front on both surfaces of the NACA 0015 wing at a crank-chord-based Reynolds number of 2.4 x 106 for four different angles of attack, (0°, 2.5°, 5°, and 7.5°) and to determine the dominant mechanisms responsible for transition. This assessment includes both RANS-based transition models from NASA’s OVERFLOW 2.3b flow solver and linear parabolized stability equations (PSE) stability analysis based on the Langley Stability and Transition Analysis code, LASTRAC. Linear PSE results indicate that the upper surface of the wing is dominated by Tollmien- Schlichting (TS) instabilities, and that the laminar flow region shrinks from about 50% chord to a very small region just downstream of the attachment line as the angle of attack is increased from 0° to 7.5°. Consequently, the transition fronts predicted by the Spalart- Allmaras-based amplification factor transport (AFT-2017b) equation model (which accounts for the TS instabilities alone) and the Menter’s shear-stress transport equation (SST2003)- based Langtry-Menter transition model with ability to account for both TS and crossflow effects (LM2015) compare well with those predicted using linear PSE. On the lower surface of the wing, stationary crossflow (CF) instabilities begin to appear on the inboard portion of the wing in addition to the TS-instabilities for the larger angles of attack (5° and 7.5°), further reducing the laminar flow extent within the inboard region. The LM2015 model that accounts for CF effects is able to replicate this trend but appears to predict a slightly earlier transition. The outcome of this effort will inform the experiment and, when the actual experimental data become available, provide further opportunity to assess and improve the various transition models.

CFD modeling↗